2267-40-5 | 3-CHLOROSULFONYL-4-FLUORO-BENZOIC ACID

CAS:2267-40-5 | 3-CHLOROSULFONYL-4-FLUORO-BENZOIC ACID,Description

3-(Chlorosulfonyl)-4-fluorobenzoic acid is a chemical compound with the empirical formula C7H4ClFO4S. It is a solid substanceand is used for research and development purposes.

Molecular Structure Analysis

The molecular weight of 3-(Chlorosulfonyl)-4-fluorobenzoic acid is 238.62. The SMILES string representation of its structure is OC(=O)c1ccc(F)c(c1)S(Cl)(=O)=O.

Physical And Chemical Properties Analysis

3-(Chlorosulfonyl)-4-fluorobenzoic acid is a solid substance. The molecular weight of this compound is 238.62. The SMILES string representation of its structure is OC(=O)c1ccc(F)c(c1)S(Cl)(=O)=O.

Scientific Research Applications

Degradation by Microorganisms

A study by Schreiber et al. (1980) reveals the cometabolism of monofluorobenzoates, including 4-fluorobenzoate, by Pseudomonas sp. B13. This study proposes a catabolic pathway based on key metabolites, highlighting the microorganism's ability to degrade fluorobenzoates, which could have implications for the biodegradation of 3-(chlorosulfonyl)-4-fluorobenzoic acid (Schreiber, Hellwig, Dorn, Reineke, & Knackmuss, 1980).

Herbicidal Activity

Liu Chang-chun (2006) synthesized 3-chloro-4-fluorobenzoylthiourea from 3-chloro-4-fluorobenzoic acid, demonstrating its potential as a herbicide. This research shows the applicability of fluorobenzoic acid derivatives in agricultural chemistry (Liu Chang-chun, 2006).

Transformation in Anaerobic Conditions

Genthner, Townsend, and Chapman (1989) investigated the transformation of phenol to benzoate using isomeric fluorophenols, including fluorobenzoates. This study may provide insight into the behavior of compounds like 3-(chlorosulfonyl)-4-fluorobenzoic acid under anaerobic conditions (Genthner, Townsend, & Chapman, 1989).

Reactions with Organolithium Reagents

Research by Gohier, Castanet, and Mortier (2003) on the reactions of organolithium reagents with halobenzoic acids, including 2-fluorobenzoic acid, highlights the potential for complex chemical transformations involving 3-(chlorosulfonyl)-4-fluorobenzoic acid (Gohier, Castanet, & Mortier, 2003).

Use as a Building Block in Heterocyclic Synthesis

Křupková, Funk, Soural, and Hlaváč (2013) described the use of 4-chloro-2-fluoro-5-nitrobenzoic acid as a multireactive building block for the synthesis of various nitrogenous heterocycles. This suggests potential uses for 3-(chlorosulfonyl)-4-fluorobenzoic acid in synthesizing diverse organic compounds (Křupková, Funk, Soural, & Hlaváč, 2013) .

Biodegradation Studies

Boersma, Mcroberts, Cobb, and Murphy (2004) studied the biodegradation of fluorobenzoates by Sphingomonas sp. This research could provide insights into the environmental fate and microbial degradation of compounds like 3-(chlorosulfonyl)-4-fluorobenzoic acid (Boersma, Mcroberts, Cobb, & Murphy, 2004).

Safety And Hazards

3-(Chlorosulfonyl)-4-fluorobenzoic acid is considered hazardous. It causes severe skin burns and eye damage, and may cause respiratory irritation. It is recommended to avoid breathing its dust/fume/gas/mist/vapors/spray, and to use it only outdoors or in a well-ventilated area.

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